2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide

C15H18FN3O2 — CID 91778772

IUPAC2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
SMILESCCC(Cn1ccnc1)NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C15H18FN3O2/c1-3-11(9-19-8-7-17-10-19)18-15(20)14-12(16)5-4-6-13(14)21-2/h4-8,10-11H,3,9H2,1-2H3,(H,18,20)
InChIKeyCBNLXXKLQMOYDW-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.24
Rot. Bonds6

About 2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide

2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide (PubChem CID 91778772) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
PubChem CID91778772
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
SMILESCCC(Cn1ccnc1)NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C15H18FN3O2/c1-3-11(9-19-8-7-17-10-19)18-15(20)14-12(16)5-4-6-13(14)21-2/h4-8,10-11H,3,9H2,1-2H3,(H,18,20)
InChIKeyCBNLXXKLQMOYDW-UHFFFAOYSA-N
XLogP2.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide
CID 96573373
N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide
CID 72895830
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 95556331
N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 119060884
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
5-chloro-N-[(2S)-1-imidazol-1-yl-3-phenylpropan-2-yl]-1-(2-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 141390922
1-[(2R)-1-imidazol-1-ylbutan-2-yl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea
CID 97446086
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide
CID 56744427
N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672908
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide?
The IUPAC name of 2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide (CID 91778772) is 2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide?
The canonical SMILES for 2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide is CCC(Cn1ccnc1)NC(=O)c1c(F)cccc1OC.
What is the InChIKey of 2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide?
The InChIKey is CBNLXXKLQMOYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-3-11(9-19-8-7-17-10-19)18-15(20)14-12(16)5-4-6-13(14)21-2/h4-8,10-11H,3,9H2,1-2H3,(H,18,20).
What are the key properties of 2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide?
2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide has a molecular weight of 291.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide is sourced from PubChem (CID 91778772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).